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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Oct-2023	/functional_selection/energy_calc s1_energy_wb97xd_3j	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD; TD-FC	GEN	-1462.4149511; Eh
	2-Oct-2023	/functional_selection/energy_calc s0_energy_wb97xd_3a	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	GEN	-1155.2101978; Eh
	2-Oct-2023	/functional_selection geo_opt_wb97xd_3f	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-311+G(D,P)	-1359.57896229; Eh
	2-Oct-2023	/functional_selection geo_opt_wb97xd_3j	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-311+G(D,P)	-1462.24978734; Eh
	2-Oct-2023	/functional_selection geo_opt_wb97xd_3h	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-311+G(D,P)	-1588.62109129; Eh
	2-Oct-2023	/functional_selection/energy_calc s0_energy_wb97xd_3f	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	GEN	-1359.7370515; Eh
	8-Apr-2024	/figureS2 12TS2EnoHTMP	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1530.68352648; Eh
	8-Apr-2024	/figure_1 1I1LiE	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1463.48273706; Eh
	8-Apr-2024	/figureS1 1I4Z	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1618.21864992; Eh
	8-Apr-2024	/figureS3 12I2Z	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1515.75048948; Eh

Results 711-720 of 764 (Search time: 0.001 seconds).